SCHEMBL18784535

SCHEMBL18784535

CC[n+]1c(C(F)(F)F)n(C)c2ccccc21.F[B-](F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ERAP1 Q9NZ08 1/20 0.33
▸ KIF11 P52732 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ PTPN1 P18031 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ KDM4E B2RXH2 2/20 0.30
▸ ALDH1A1 P00352 2/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18807748 0.95 ERAP1 (0.36) ERAP1KIF11PTPN1LMNAHTT
Fluoride Ion SCHEMBL18784476 0.94 ERAP1 (0.35) ERAP1KIF11PTPN1LMNAHTT
Iodide SCHEMBL18784515 0.94 PTPN1 (0.35) ERAP1KIF11PTPN1LMNAHTT
Hydrochloric Acid SCHEMBL18784500 0.94 ERAP1 (0.38) ERAP1KIF11PTPN1LMNAHTT
Bromide SCHEMBL19095359 0.94 ERAP1 (0.35) ERAP1KIF11PTPN1LMNAHTT
SCHEMBL18784617 0.86 LMNA (0.38) ERAP1LMNAHPGDHTTKDM4E
Trifluoromethanesulfonic Acid SCHEMBL18784543 0.85 LMNA (0.38) ACHELMNAKDM4EALDH1A1MEN1
SCHEMBL18784575 0.84 APOBEC3A (0.41) ERAP1LMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL18784434 0.83 LMNA (0.49) LMNAHPGDHTTSMN1; SMN2KDM4E
SCHEMBL18784459 0.82 LMNA (0.40) ERAP1LMNAHPGDHTTSMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3162799-B1 FLUOROALKYLATING AGENT KUMIAI CHEMICAL INDUSTRY CO (JP) 2021-03-10 — — EP disclosed
US-10696640-B2 Fluoroalkylating agent KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2020-06-30 — — US disclosed
US-20190233380-A1 FLUOROALKYLATING AGENT KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2019-08-01 — — US disclosed
US-10308613-B2 Fluoroalkylating agent KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2019-06-04 — — US disclosed
US-20170197920-A1 FLUOROALKYLATING AGENT IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2017-07-13 — — US disclosed
EP-3162799-A1 FLUOROALKYLATING AGENT Ihara Chemical Industry Co., Ltd. (JP) 2017-05-03 — — EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10308613-B2 Fluoroalkylating agent AFF1, AFF4, AFF2 ERAP1 3567/4885KIF11 445/4885ACHE 1910/4885
US-10696640-B2 Fluoroalkylating agent AFF1, AFF4, AFF2 ERAP1 3567/4885KIF11 445/4885ACHE 1910/4885
US-20190233380-A1 FLUOROALKYLATING AGENT AFF1, AFF4, AFF2 ERAP1 3567/4885KIF11 445/4885ACHE 1910/4885
US-20170197920-A1 FLUOROALKYLATING AGENT AFF1, AFF4, AFF2 ERAP1 3567/4885KIF11 445/4885ACHE 1910/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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